#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2s n SER 3 N 0.00 -2.51 -4.66 2.55 3.41 -1.26 -4.91 113.62 106.23 1r2s n SER 3 Ca 0.00 0.30 -0.39 0.00 -0.26 0.00 0.00 58.87 58.52 1r2s n SER 3 Cb 0.00 -1.15 -0.06 0.00 -0.26 0.00 0.00 64.21 62.73 1r2s n SER 3 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r2s s ARG 4 N -3.46 4.21 0.29 4.33 0.52 -1.26 -5.03 118.95 118.55 1r2s s ARG 4 Ca 0.55 0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 1r2s s ARG 4 Cb -0.21 -3.56 -0.11 0.00 0.52 0.00 0.00 34.95 31.59 1r2s s ARG 4 CO 0.69 -0.17 1.60 0.21 0.02 0.00 0.00 175.30 177.65 1r2s s LYS 5 N 1.68 4.12 0.19 3.54 2.20 -1.26 -4.94 119.74 125.27 1r2s s LYS 5 Ca 0.26 2.58 -0.31 0.00 -0.36 0.00 0.00 55.97 58.14 1r2s s LYS 5 Cb -0.16 -3.03 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 1r2s s LYS 5 CO 0.10 -0.63 1.42 0.12 -0.36 0.00 0.00 175.35 176.00 1r2s s PHE 6 N 0.03 3.14 -0.13 4.03 5.36 -1.06 -4.87 117.98 124.48 1r2s s PHE 6 Ca 0.64 0.98 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 1r2s s PHE 6 Cb -0.48 -3.75 0.01 0.00 -0.34 0.00 0.00 43.02 38.46 1r2s s PHE 6 CO 0.47 -2.55 -0.21 0.12 -1.46 0.00 0.00 175.22 171.60 1r2s s PHE 7 N 0.49 2.52 -0.23 10.12 5.36 -0.68 -0.16 117.98 135.41 1r2s s PHE 7 Ca 0.62 -1.25 -0.00 0.00 -0.96 0.00 0.00 56.93 55.33 1r2s s PHE 7 Cb -0.40 -1.73 0.06 0.00 -0.34 0.00 0.00 43.02 40.62 1r2s s PHE 7 CO 0.37 -0.58 -0.02 0.08 -1.46 0.00 0.00 175.22 173.60 1r2s s VAL 8 N 0.84 1.23 -0.11 3.12 1.01 0.41 -0.87 120.40 126.03 1r2s s VAL 8 Ca -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 1r2s s VAL 8 Cb -0.15 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1r2s s VAL 8 CO -0.02 -0.15 0.02 -0.83 0.00 0.00 0.00 175.10 174.12 1r2s s GLY 9 N 1.53 1.87 -0.28 4.51 0.00 0.19 -1.32 107.32 113.82 1r2s s GLY 9 Ca -0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 43.84 1r2s s GLY 9 CO -0.07 -0.43 0.05 -0.32 0.00 0.00 0.00 173.10 172.33 1r2s s GLY 10 N -0.61 1.75 -0.54 0.20 0.00 0.73 -0.72 107.32 108.13 1r2s s GLY 10 Ca 0.10 -1.42 -0.17 0.00 0.00 0.00 0.00 44.72 43.23 1r2s s GLY 10 CO 0.02 0.61 0.58 0.21 0.00 0.00 0.00 173.10 174.52 1r2s s ASN 11 N 1.48 6.19 0.26 1.64 2.47 0.11 -0.83 114.94 126.25 1r2s s ASN 11 Ca 0.03 -1.44 0.22 0.00 0.42 0.00 0.00 52.86 52.09 1r2s s ASN 11 Cb -0.17 -2.25 0.99 0.00 -1.45 0.00 0.00 41.25 38.37 1r2s s ASN 11 CO 0.01 -0.92 1.68 0.79 -3.72 0.00 0.00 177.10 174.94 1r2s n TRP 12 N 5.78 0.75 -2.02 0.43 8.01 -0.40 -4.57 117.44 125.42 1r2s n TRP 12 Ca -0.11 0.31 0.00 0.00 -1.31 0.00 0.00 57.50 56.40 1r2s n TRP 12 Cb 0.42 -1.01 0.00 0.00 -2.01 0.00 0.00 31.31 28.72 1r2s n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r2s n LYS 13 N -2.20 0.00 -3.04 -0.99 5.02 -1.26 -3.42 118.16 112.27 1r2s n LYS 13 Ca 0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1r2s n LYS 13 Cb 0.18 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1r2s n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1r2s n MET 14 N 13.68 4.28 -3.85 1.97 1.56 -1.26 -3.97 117.12 129.53 1r2s n MET 14 Ca 0.00 -4.58 -0.12 0.00 -0.27 0.00 0.00 57.70 52.72 1r2s n MET 14 Cb 0.00 -2.47 -0.14 0.00 2.15 0.00 0.00 33.22 32.75 1r2s n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1r2s s ASN 15 N -1.90 -0.01 0.00 6.12 0.01 -1.22 -5.12 114.94 112.82 1r2s s ASN 15 Ca 0.33 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 1r2s s ASN 15 Cb 0.07 0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.76 1r2s s ASN 15 CO 0.08 -0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.26 1r2s n GLY 16 N 3.24 3.01 3.71 0.66 0.00 -1.26 -4.73 105.19 109.82 1r2s n GLY 16 Ca -0.14 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1r2s n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r2s s ARG 17 N -4.28 2.10 0.56 1.61 1.81 -1.26 -5.01 118.95 114.48 1r2s s ARG 17 Ca 0.00 -2.22 0.26 0.00 -1.72 0.00 0.00 55.73 52.06 1r2s s ARG 17 Cb 0.00 -1.64 1.52 0.00 -0.45 0.00 0.00 34.95 34.38 1r2s s ARG 17 CO 0.00 -0.22 2.06 0.87 -0.68 0.00 0.00 175.30 177.33 1r2s h LYS 18 N 1.51 0.00 0.28 3.54 1.57 -1.99 -2.23 116.57 119.25 1r2s h LYS 18 Ca -0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1r2s h LYS 18 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1r2s h LYS 18 CO 0.76 0.00 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.29 1r2s h LYS 19 N 0.00 -0.36 0.00 3.15 3.64 -2.00 -2.91 116.57 118.10 1r2s h LYS 19 Ca 0.13 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1r2s h LYS 19 Cb 0.63 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1r2s h LYS 19 CO -0.00 -0.24 0.00 -2.95 -2.27 0.00 0.00 179.45 173.99 1r2s h ASN 20 N -1.06 0.00 1.14 4.20 -1.07 -1.96 -2.47 115.58 114.36 1r2s h ASN 20 Ca -0.04 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.16 1r2s h ASN 20 Cb 0.28 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.51 1r2s h ASN 20 CO 0.06 0.00 -0.81 -0.07 0.07 0.00 0.00 177.43 176.69 1r2s h LEU 21 N 0.00 0.00 -0.98 6.14 3.38 -1.55 -2.08 115.31 120.23 1r2s h LEU 21 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1r2s h LEU 21 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1r2s h LEU 21 CO 0.00 0.81 -0.40 1.23 0.09 0.00 0.00 178.44 180.16 1r2s h GLY 22 N 3.08 0.24 0.41 0.83 0.00 -1.23 -0.89 103.07 105.50 1r2s h GLY 22 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1r2s h GLY 22 CO 0.10 0.20 -0.04 0.83 0.00 0.00 0.00 176.54 177.63 1r2s h GLU 23 N 0.18 0.05 -0.95 4.80 5.08 -1.53 -1.88 114.58 120.33 1r2s h GLU 23 Ca 0.02 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.49 1r2s h GLU 23 Cb 0.80 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 1r2s h GLU 23 CO 0.06 0.67 0.56 1.25 -1.00 0.00 0.00 179.01 180.56 1r2s h LEU 24 N -0.57 0.76 -0.68 1.33 5.85 -1.31 -1.57 115.31 119.11 1r2s h LEU 24 Ca -0.00 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1r2s h LEU 24 Cb 0.68 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1r2s h LEU 24 CO 0.01 0.34 -0.06 0.40 -0.34 0.00 0.00 178.44 178.79 1r2s h ILE 25 N 0.81 1.26 -0.76 4.05 2.04 -1.08 -2.24 117.51 121.59 1r2s h ILE 25 Ca 0.51 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1r2s h ILE 25 Cb 0.66 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1r2s h ILE 25 CO -0.33 0.42 0.36 0.74 0.00 0.00 0.00 178.15 179.34 1r2s h THR 26 N 0.87 1.24 -0.01 -0.27 2.02 -0.58 -0.54 112.91 115.64 1r2s h THR 26 Ca 0.15 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1r2s h THR 26 Cb 0.60 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1r2s h THR 26 CO 0.04 0.28 0.00 0.74 0.37 0.00 0.00 175.52 176.96 1r2s h THR 27 N 1.07 1.11 -0.75 3.16 2.02 -0.91 -2.89 112.91 115.72 1r2s h THR 27 Ca 0.26 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1r2s h THR 27 Cb 0.11 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1r2s h THR 27 CO -0.03 0.09 0.36 -0.07 0.37 0.00 0.00 175.52 176.23 1r2s h LEU 28 N -0.13 0.99 -1.73 2.58 3.38 -1.24 -2.76 115.31 116.40 1r2s h LEU 28 Ca 0.00 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1r2s h LEU 28 Cb 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1r2s h LEU 28 CO -0.00 0.84 0.34 0.78 0.09 0.00 0.00 178.44 180.49 1r2s h ASN 29 N 1.06 0.28 0.56 -0.43 4.21 -1.00 -1.94 115.58 118.31 1r2s h ASN 29 Ca 0.26 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.57 1r2s h ASN 29 Cb 0.12 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1r2s h ASN 29 CO -0.03 0.17 -0.91 0.00 -1.29 0.00 0.00 177.43 175.37 1r2s h ALA 30 N 1.74 0.47 -2.91 -0.83 0.00 -1.28 -3.47 119.26 112.99 1r2s h ALA 30 Ca 0.23 -0.73 -0.53 0.00 0.00 0.00 0.00 54.91 53.87 1r2s h ALA 30 Cb 0.50 -0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.31 1r2s h ALA 30 CO -0.05 0.91 0.72 0.00 0.00 0.00 0.00 179.25 180.83 1r2s s ALA 31 N -3.18 3.54 -0.13 0.00 0.00 -0.73 -4.98 121.76 116.29 1r2s s ALA 31 Ca -0.03 1.43 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 1r2s s ALA 31 Cb 0.10 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1r2s s ALA 31 CO 0.84 -0.86 0.71 0.21 0.00 0.00 0.00 175.76 176.65 1r2s s LYS 32 N -1.88 4.34 -0.32 0.00 2.20 -1.26 -5.03 119.74 117.79 1r2s s LYS 32 Ca 0.51 0.83 -0.16 0.00 -0.36 0.00 0.00 55.97 56.79 1r2s s LYS 32 Cb -0.43 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1r2s s LYS 32 CO 0.58 -0.12 0.43 0.08 -0.36 0.00 0.00 175.35 175.96 1r2s s VAL 33 N 1.45 5.11 0.55 4.02 1.01 -1.26 -5.00 120.40 126.28 1r2s s VAL 33 Ca 0.35 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 1r2s s VAL 33 Cb -0.17 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1r2s s VAL 33 CO 0.14 -0.05 0.61 -2.65 0.00 0.00 0.00 175.10 173.16 1r2s n PRO 34 N 5.50 0.61 -0.11 2.72 -0.02 -1.26 -4.91 135.00 137.53 1r2s n PRO 34 Ca -0.07 0.24 -0.05 0.00 -2.02 0.00 0.00 63.50 61.59 1r2s n PRO 34 Cb 0.50 -1.77 0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1r2s n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r2s h ALA 35 N 0.39 0.17 -0.93 3.55 0.00 -2.01 -2.91 119.26 117.52 1r2s h ALA 35 Ca -0.45 0.14 -0.72 0.00 0.00 0.00 0.00 54.91 53.88 1r2s h ALA 35 Cb 1.39 0.39 -0.26 0.00 0.00 0.00 0.00 17.79 19.32 1r2s h ALA 35 CO 0.48 -0.51 0.96 -0.25 0.00 0.00 0.00 179.25 179.93 1r2s n ASP 36 N -5.34 7.40 -3.85 0.00 8.00 -1.26 -4.92 116.55 116.56 1r2s n ASP 36 Ca 0.02 -3.74 -0.19 0.00 0.71 0.00 0.00 54.79 51.59 1r2s n ASP 36 Cb 0.26 -1.09 -0.16 0.00 -0.02 0.00 0.00 41.12 40.11 1r2s n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1r2s s THR 37 N -4.65 0.38 -0.27 -3.53 2.01 -1.10 -2.55 115.64 105.92 1r2s s THR 37 Ca 0.54 -0.02 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 1r2s s THR 37 Cb 0.44 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.46 1r2s s THR 37 CO -0.36 0.19 0.16 -0.70 -0.69 0.00 0.00 174.62 173.22 1r2s s GLU 38 N 1.02 3.83 -0.18 4.92 2.12 0.78 -4.86 118.70 126.33 1r2s s GLU 38 Ca -0.10 -0.39 -0.03 0.00 0.36 0.00 0.00 54.97 54.81 1r2s s GLU 38 Cb -0.14 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1r2s s GLU 38 CO -0.01 -0.20 -0.05 0.08 -0.54 0.00 0.00 175.26 174.55 1r2s s VAL 39 N 1.71 3.63 -0.03 3.70 1.01 -1.26 -0.44 120.40 128.72 1r2s s VAL 39 Ca 0.07 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1r2s s VAL 39 Cb -0.16 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 1r2s s VAL 39 CO 0.09 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.83 1r2s s VAL 40 N 0.77 1.08 -0.02 2.92 1.01 -0.43 -1.60 120.40 124.12 1r2s s VAL 40 Ca -0.02 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1r2s s VAL 40 Cb -0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1r2s s VAL 40 CO 0.02 0.32 -0.24 0.00 0.00 0.00 0.00 175.10 175.20 1r2s s ALA 42 N -0.63 2.67 0.63 0.00 0.00 -0.01 -0.78 121.76 123.64 1r2s s ALA 42 Ca 0.10 -2.51 -0.11 0.00 0.00 0.00 0.00 51.96 49.44 1r2s s ALA 42 Cb -0.10 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1r2s s ALA 42 CO -0.01 -1.77 1.03 -1.25 0.00 0.00 0.00 175.76 173.77 1r2s s PRO 43 N 0.79 3.47 0.73 0.00 0.04 -1.25 -1.28 135.00 137.51 1r2s s PRO 43 Ca 0.12 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 1r2s s PRO 43 Cb -0.20 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1r2s s PRO 43 CO -0.09 -0.67 0.58 -2.30 0.04 0.00 0.00 177.00 174.56 1r2s n PRO 44 N -2.75 0.29 -0.22 0.56 -0.02 -1.25 -4.50 135.00 127.10 1r2s n PRO 44 Ca 0.06 0.14 -0.06 0.00 -2.02 0.00 0.00 63.50 61.62 1r2s n PRO 44 Cb 0.54 -1.88 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 1r2s n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1r2s h THR 45 N -0.42 1.19 -0.90 3.45 2.02 -1.96 -1.61 112.91 114.68 1r2s h THR 45 Ca -0.46 -0.42 0.26 0.00 0.77 0.00 0.00 66.41 66.57 1r2s h THR 45 Cb 1.34 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1r2s h THR 45 CO 0.43 0.19 0.86 0.00 0.37 0.00 0.00 175.52 177.36 1r2s h ALA 46 N 1.19 2.75 -0.24 6.16 0.00 -2.02 -2.83 119.26 124.27 1r2s h ALA 46 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1r2s h ALA 46 Cb -0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r2s h ALA 46 CO -0.04 -1.32 0.00 0.66 0.00 0.00 0.00 179.25 178.55 1r2s n TYR 47 N -3.68 0.33 -0.10 0.00 4.01 -0.61 -4.69 117.16 112.41 1r2s n TYR 47 Ca 0.19 -0.49 -0.06 0.00 -0.16 0.00 0.00 57.90 57.38 1r2s n TYR 47 Cb 1.15 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 40.16 1r2s n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1r2s h ILE 48 N 1.45 0.59 0.37 -0.72 2.04 -1.48 -0.15 117.51 119.61 1r2s h ILE 48 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1r2s h ILE 48 Cb 0.66 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1r2s h ILE 48 CO 0.00 0.00 -0.25 -0.78 0.00 0.00 0.00 178.15 177.12 1r2s h ASP 49 N -0.04 -0.65 -0.99 1.72 3.58 -1.83 -2.12 116.42 116.09 1r2s h ASP 49 Ca 0.18 0.04 0.13 0.00 0.42 0.00 0.00 57.03 57.80 1r2s h ASP 49 Cb 0.30 0.20 -0.09 0.00 1.72 0.00 0.00 39.33 41.47 1r2s h ASP 49 CO -0.39 -0.39 0.63 0.15 -2.88 0.00 0.00 179.24 176.35 1r2s h PHE 50 N -0.61 1.11 -0.39 0.28 3.57 -1.80 -2.11 116.94 116.98 1r2s h PHE 50 Ca -0.04 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1r2s h PHE 50 Cb 0.52 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1r2s h PHE 50 CO -0.11 0.42 -0.23 0.00 -2.23 0.00 0.00 178.31 176.15 1r2s h ALA 51 N 1.56 0.55 -0.11 2.41 0.00 -0.81 -2.99 119.26 119.88 1r2s h ALA 51 Ca 0.50 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1r2s h ALA 51 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1r2s h ALA 51 CO -0.27 0.54 -0.38 -0.09 0.00 0.00 0.00 179.25 179.05 1r2s h ARG 52 N 0.66 0.23 -0.06 0.00 9.65 -0.74 -1.34 114.38 122.79 1r2s h ARG 52 Ca 0.08 -0.10 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 1r2s h ARG 52 Cb 0.80 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1r2s h ARG 52 CO 0.07 0.59 -0.55 1.96 2.80 0.00 0.00 179.97 184.83 1r2s h GLN 53 N 0.20 0.18 0.00 0.20 4.20 -1.35 -3.32 115.11 115.21 1r2s h GLN 53 Ca 0.02 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 1r2s h GLN 53 Cb 0.77 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1r2s h GLN 53 CO 0.06 0.68 -1.85 1.63 -0.67 0.00 0.00 178.83 178.68 1r2s n LYS 54 N -3.90 0.65 -2.70 1.46 4.76 -1.14 -4.94 118.16 112.35 1r2s n LYS 54 Ca -0.02 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 1r2s n LYS 54 Cb 0.58 -1.63 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 1r2s n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1r2s s LEU 55 N -5.22 4.51 0.30 -0.35 1.43 -0.51 -4.94 118.68 113.91 1r2s s LEU 55 Ca -0.06 1.85 -0.29 0.00 -1.03 0.00 0.00 54.13 54.60 1r2s s LEU 55 Cb 0.10 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.60 1r2s s LEU 55 CO 0.85 -0.07 1.28 -0.67 0.23 0.00 0.00 176.35 177.97 1r2s n ASP 56 N 2.60 2.53 0.14 2.29 -0.08 -1.26 -4.87 116.55 117.89 1r2s n ASP 56 Ca 0.02 1.19 0.08 0.00 -1.51 0.00 0.00 54.79 54.57 1r2s n ASP 56 Cb 0.48 -1.44 0.45 0.00 2.34 0.00 0.00 41.12 42.96 1r2s n ASP 56 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1r2s n PRO 57 N 0.98 0.11 0.26 -0.67 -0.02 -1.26 -1.25 135.00 133.15 1r2s n PRO 57 Ca 0.07 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.31 1r2s n PRO 57 Cb 0.34 -1.93 0.63 0.00 -0.02 0.00 0.00 33.50 32.52 1r2s n PRO 57 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1r2s h LYS 58 N 0.00 0.00 -5.62 -0.52 2.10 -1.98 -3.42 116.57 107.12 1r2s h LYS 58 Ca 0.00 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.99 1r2s h LYS 58 Cb 0.15 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 31.27 1r2s h LYS 58 CO 0.00 0.00 -0.68 0.42 -2.00 0.00 0.00 179.45 177.19 1r2s s ILE 59 N -3.59 3.76 0.35 0.07 1.01 -0.38 -4.71 121.20 117.71 1r2s s ILE 59 Ca 0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 1r2s s ILE 59 Cb 0.09 -2.60 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 1r2s s ILE 59 CO 0.53 0.54 0.69 0.00 0.00 0.00 0.00 174.94 176.70 1r2s s ALA 60 N -0.11 3.44 -0.09 9.38 0.00 -0.63 -4.81 121.76 128.94 1r2s s ALA 60 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1r2s s ALA 60 Cb -0.13 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1r2s s ALA 60 CO 0.03 0.12 -0.13 0.08 0.00 0.00 0.00 175.76 175.85 1r2s s VAL 61 N -2.23 3.07 0.04 0.00 1.01 -1.26 -0.23 120.40 120.81 1r2s s VAL 61 Ca 0.49 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.87 1r2s s VAL 61 Cb -0.10 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1r2s s VAL 61 CO 0.29 0.56 -0.26 0.00 0.00 0.00 0.00 175.10 175.69 1r2s s ALA 62 N -0.17 2.20 0.52 5.51 0.00 0.04 -1.90 121.76 127.96 1r2s s ALA 62 Ca -0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 1r2s s ALA 62 Cb -0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 1r2s s ALA 62 CO 0.03 0.52 0.99 0.00 0.00 0.00 0.00 175.76 177.30 1r2s s ALA 63 N -0.80 3.05 -1.50 0.00 0.00 -0.86 -3.83 121.76 117.81 1r2s s ALA 63 Ca 0.11 0.19 0.28 0.00 0.00 0.00 0.00 51.96 52.54 1r2s s ALA 63 Cb -0.10 -3.13 1.10 0.00 0.00 0.00 0.00 23.12 21.00 1r2s s ALA 63 CO 0.02 -0.29 1.79 1.04 0.00 0.00 0.00 175.76 178.32 1r2s n GLN 64 N -1.65 0.54 0.00 0.00 6.02 -1.26 -0.91 117.38 120.11 1r2s n GLN 64 Ca 0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1r2s n GLN 64 Cb 0.54 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1r2s n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1r2s n ASN 65 N -1.05 0.00 -3.77 1.08 5.15 -1.23 -4.59 115.26 110.85 1r2s n ASN 65 Ca 0.12 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.04 1r2s n ASN 65 Cb 0.30 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.53 1r2s n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r2s n TYR 67 N -0.47 -2.98 0.08 0.00 9.36 -0.30 -4.96 117.16 117.88 1r2s n TYR 67 Ca -0.05 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.20 1r2s n TYR 67 Cb 0.60 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.36 1r2s n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r2s n LYS 68 N -0.91 1.45 -4.30 2.98 2.85 -1.26 -4.66 118.16 114.31 1r2s n LYS 68 Ca 0.00 -1.36 -0.16 0.00 -1.05 0.00 0.00 58.31 55.74 1r2s n LYS 68 Cb 0.00 -1.14 -0.10 0.00 -0.65 0.00 0.00 35.03 33.14 1r2s n LYS 68 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1r2s s VAL 69 N -0.77 0.95 -0.12 0.58 -7.23 -1.26 -4.81 120.40 107.75 1r2s s VAL 69 Ca 0.10 -2.02 0.14 0.00 -1.81 0.00 0.00 61.98 58.39 1r2s s VAL 69 Cb 0.06 -2.23 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 1r2s s VAL 69 CO 0.08 -0.41 1.33 0.00 -0.31 0.00 0.00 175.10 175.79 1r2s h THR 70 N 2.57 0.91 -2.92 5.32 1.03 -2.00 -3.44 112.91 114.38 1r2s h THR 70 Ca -0.38 -2.34 -0.04 0.00 -0.01 0.00 0.00 66.41 63.65 1r2s h THR 70 Cb 1.21 2.42 -0.14 0.00 -1.07 0.00 0.00 68.15 70.58 1r2s h THR 70 CO 0.64 0.52 0.13 0.20 -0.01 0.00 0.00 175.52 177.00 1r2s s ASN 71 N -6.39 -0.50 0.00 0.00 0.01 -1.26 -4.78 114.94 102.02 1r2s s ASN 71 Ca 0.03 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1r2s s ASN 71 Cb 0.08 0.55 0.00 0.00 0.41 0.00 0.00 41.25 42.29 1r2s s ASN 71 CO 0.76 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1r2s n GLY 72 N -0.07 -1.34 3.01 0.66 0.00 -1.26 -5.02 105.19 101.17 1r2s n GLY 72 Ca -0.17 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 1r2s n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2s n ALA 73 N -0.30 4.96 -3.41 4.61 0.00 -1.26 -4.77 120.51 120.33 1r2s n ALA 73 Ca 0.00 -4.13 -0.27 0.00 0.00 0.00 0.00 53.44 49.04 1r2s n ALA 73 Cb 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 19.45 16.13 1r2s n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r2s n PHE 74 N 5.29 -0.68 -2.10 0.00 3.72 -1.26 -5.11 117.46 117.31 1r2s n PHE 74 Ca 0.44 -3.37 -0.42 0.00 -0.05 0.00 0.00 57.45 54.05 1r2s n PHE 74 Cb 0.39 0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 1r2s n PHE 74 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1r2s s THR 75 N -0.08 2.95 0.00 4.37 -4.23 -1.26 -2.09 115.64 115.30 1r2s s THR 75 Ca 0.33 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1r2s s THR 75 Cb 0.04 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1r2s s THR 75 CO -0.19 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1r2s n GLY 76 N 2.60 0.76 3.92 3.99 0.00 -1.26 -5.08 105.19 110.11 1r2s n GLY 76 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1r2s n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2s s GLU 77 N -0.63 2.87 0.05 1.61 0.41 -0.89 -5.13 118.70 116.98 1r2s s GLU 77 Ca 0.00 -1.20 0.02 0.00 -0.41 0.00 0.00 54.97 53.38 1r2s s GLU 77 Cb 0.00 -2.62 -0.03 0.00 -1.78 0.00 0.00 34.13 29.71 1r2s s GLU 77 CO 0.00 0.04 -0.07 0.96 -0.49 0.00 0.00 175.26 175.70 1r2s s ILE 78 N -2.27 0.52 0.24 -1.63 -4.36 -1.26 -5.02 121.20 107.43 1r2s s ILE 78 Ca 0.44 -1.14 0.06 0.00 -0.26 0.00 0.00 60.65 59.74 1r2s s ILE 78 Cb -0.07 -0.68 -0.03 0.00 1.25 0.00 0.00 42.46 42.92 1r2s s ILE 78 CO 0.29 -0.43 0.27 -0.94 0.24 0.00 0.00 174.94 174.36 1r2s s SER 79 N -1.70 5.90 0.36 4.36 1.04 -1.26 -1.15 113.70 121.24 1r2s s SER 79 Ca -0.09 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.31 1r2s s SER 79 Cb -0.09 -1.62 0.75 0.00 0.10 0.00 0.00 66.02 65.16 1r2s s SER 79 CO -0.00 -0.05 1.94 -0.65 0.98 0.00 0.00 173.24 175.46 1r2s h PRO 80 N 1.40 0.74 0.00 4.02 0.11 -1.84 0.40 132.00 136.82 1r2s h PRO 80 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1r2s h PRO 80 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1r2s h PRO 80 CO 0.61 0.49 -0.01 0.78 -0.21 0.00 0.00 178.00 179.66 1r2s h GLY 81 N 0.76 0.00 0.78 -0.55 0.00 -1.93 -1.00 103.07 101.14 1r2s h GLY 81 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.51 1r2s h GLY 81 CO -0.13 0.00 -0.66 -0.33 0.00 0.00 0.00 176.54 175.43 1r2s h MET 82 N 0.00 0.40 0.05 4.80 2.86 -1.27 -2.08 114.93 119.68 1r2s h MET 82 Ca -0.00 -0.46 0.02 0.00 -2.06 0.00 0.00 59.70 57.20 1r2s h MET 82 Cb 0.02 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1r2s h MET 82 CO 0.00 1.14 -0.18 0.82 1.06 0.00 0.00 176.91 179.75 1r2s h ILE 83 N -0.13 0.59 -0.64 -1.22 2.04 -0.99 -2.11 117.51 115.04 1r2s h ILE 83 Ca -0.09 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.89 1r2s h ILE 83 Cb 1.39 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.97 1r2s h ILE 83 CO 0.13 0.00 0.17 0.50 0.00 0.00 0.00 178.15 178.95 1r2s h LYS 84 N -0.31 0.30 -0.66 2.37 3.64 -1.27 -2.05 116.57 118.59 1r2s h LYS 84 Ca 0.04 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1r2s h LYS 84 Cb 0.36 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1r2s h LYS 84 CO -0.13 0.20 0.44 0.22 -2.27 0.00 0.00 179.45 177.90 1r2s h ASP 85 N 0.31 0.50 -0.01 4.20 3.58 -0.82 -1.55 116.42 122.62 1r2s h ASP 85 Ca 0.34 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1r2s h ASP 85 Cb 0.50 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1r2s h ASP 85 CO -0.40 0.31 0.00 0.00 -2.88 0.00 0.00 179.24 176.27 1r2s n GLY 87 N 1.05 0.81 3.88 0.00 0.00 -0.58 -4.66 105.19 105.69 1r2s n GLY 87 Ca 0.21 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1r2s n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2s s ALA 88 N -2.00 3.34 0.00 4.61 0.00 -0.92 -4.76 121.76 122.03 1r2s s ALA 88 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1r2s s ALA 88 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1r2s s ALA 88 CO 0.00 -0.14 0.07 0.25 0.00 0.00 0.00 175.76 175.94 1r2s n THR 89 N -1.63 0.00 -4.40 0.00 -2.24 -0.80 -4.17 114.28 101.03 1r2s n THR 89 Ca 0.02 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 1r2s n THR 89 Cb 0.54 1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 69.75 1r2s n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1r2s s TRP 90 N -0.50 1.94 0.01 4.78 0.52 -1.19 -0.12 118.94 124.39 1r2s s TRP 90 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 56.10 55.60 1r2s s TRP 90 Cb 0.00 -0.92 -0.01 0.00 -1.15 0.00 0.00 33.47 31.39 1r2s s TRP 90 CO 0.00 0.46 -0.02 0.54 0.02 0.00 0.00 176.95 177.95 1r2s s VAL 91 N -2.83 0.14 -0.23 4.03 0.11 0.10 -2.03 120.40 119.69 1r2s s VAL 91 Ca 0.26 -0.34 -0.19 0.00 -2.93 0.00 0.00 61.98 58.78 1r2s s VAL 91 Cb -0.01 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 1r2s s VAL 91 CO 0.10 -0.13 0.56 -0.69 -3.33 0.00 0.00 175.10 171.62 1r2s s VAL 92 N -0.48 5.05 0.09 2.04 1.01 -0.09 -1.39 120.40 126.64 1r2s s VAL 92 Ca -0.04 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.04 1r2s s VAL 92 Cb -0.04 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1r2s s VAL 92 CO -0.00 0.11 -0.22 -0.76 0.00 0.00 0.00 175.10 174.23 1r2s s LEU 93 N 2.04 2.26 -1.07 3.92 1.43 -0.04 -3.49 118.68 123.73 1r2s s LEU 93 Ca 0.25 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1r2s s LEU 93 Cb -0.16 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1r2s s LEU 93 CO 0.09 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1r2s n GLY 94 N 1.30 0.99 3.52 -3.19 0.00 -1.26 -1.48 105.19 105.07 1r2s n GLY 94 Ca -0.18 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1r2s n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r2s n HIS 95 N -2.90 -0.22 0.24 1.61 -0.00 -1.26 -4.26 115.22 108.42 1r2s n HIS 95 Ca -0.11 0.38 0.07 0.00 0.46 0.00 0.00 57.72 58.52 1r2s n HIS 95 Cb 0.38 -1.99 0.57 0.00 -0.12 0.00 0.00 29.99 28.83 1r2s n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1r2s h SER 96 N -0.16 0.00 -0.13 0.26 4.64 -1.95 -1.30 113.55 114.91 1r2s h SER 96 Ca -0.46 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.65 1r2s h SER 96 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1r2s h SER 96 CO 0.45 0.11 -0.70 -0.33 -0.87 0.00 0.00 176.83 175.49 1r2s h GLU 97 N 0.00 0.76 -0.46 4.77 5.08 -1.97 0.25 114.58 123.01 1r2s h GLU 97 Ca -0.00 -0.57 -0.09 0.00 -1.00 0.00 0.00 59.36 57.70 1r2s h GLU 97 Cb 0.19 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1r2s h GLU 97 CO 0.01 1.19 -0.07 0.00 -1.00 0.00 0.00 179.01 179.14 1r2s h ARG 98 N 0.54 0.81 -0.06 2.33 2.47 -1.74 0.28 114.38 119.00 1r2s h ARG 98 Ca -0.03 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.42 1r2s h ARG 98 Cb 1.31 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1r2s h ARG 98 CO 0.14 0.86 -0.03 0.00 0.56 0.00 0.00 179.97 181.50 1r2s h ARG 99 N 0.74 0.13 0.00 0.04 3.08 -1.01 -1.26 114.38 116.10 1r2s h ARG 99 Ca 0.13 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 1r2s h ARG 99 Cb 0.55 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1r2s h ARG 99 CO 0.03 0.51 -1.92 0.72 -1.07 0.00 0.00 179.97 178.24 1r2s n HIS 100 N -4.79 0.00 -0.08 3.04 8.25 0.85 -2.30 115.22 120.19 1r2s n HIS 100 Ca -0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.18 1r2s n HIS 100 Cb 0.25 -0.57 -0.12 0.00 1.12 0.00 0.00 29.99 30.67 1r2s n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r2s h VAL 101 N 0.00 1.05 -0.33 1.59 2.07 -1.08 -3.40 116.25 116.16 1r2s h VAL 101 Ca -0.19 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1r2s h VAL 101 Cb 1.32 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1r2s h VAL 101 CO 0.01 0.44 0.00 0.49 0.02 0.00 0.00 177.57 178.53 1r2s n PHE 102 N -4.34 0.42 -3.71 1.57 3.72 -1.04 -5.01 117.46 109.07 1r2s n PHE 102 Ca -0.28 -0.23 -0.23 0.00 -0.05 0.00 0.00 57.45 56.66 1r2s n PHE 102 Cb 0.70 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.28 1r2s n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r2s n GLY 103 N 1.36 -0.38 3.70 1.37 0.00 -0.78 -4.94 105.19 105.53 1r2s n GLY 103 Ca 0.17 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1r2s n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2s s GLU 104 N -6.10 4.42 0.59 1.61 2.02 -0.55 -4.99 118.70 115.71 1r2s s GLU 104 Ca 0.23 1.68 -0.07 0.00 0.02 0.00 0.00 54.97 56.83 1r2s s GLU 104 Cb -0.11 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.67 1r2s s GLU 104 CO 0.80 -0.30 0.92 -1.54 0.02 0.00 0.00 175.26 175.16 1r2s s SER 105 N 1.21 5.71 0.18 -0.19 1.04 -1.26 -4.55 113.70 115.84 1r2s s SER 105 Ca 0.57 0.86 -0.13 0.00 0.48 0.00 0.00 55.95 57.73 1r2s s SER 105 Cb -0.26 -1.87 0.18 0.00 0.10 0.00 0.00 66.02 64.16 1r2s s SER 105 CO 0.26 -1.02 1.74 0.44 0.98 0.00 0.00 173.24 175.64 1r2s h ASP 106 N -0.20 0.15 -0.37 7.02 3.32 -1.99 0.34 116.42 124.68 1r2s h ASP 106 Ca -0.45 0.07 0.07 0.00 0.02 0.00 0.00 57.03 56.73 1r2s h ASP 106 Cb 1.24 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.79 1r2s h ASP 106 CO 0.61 0.11 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.16 1r2s h GLU 107 N 0.33 0.09 -0.59 3.56 4.81 -1.98 -1.17 114.58 119.63 1r2s h GLU 107 Ca 0.24 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1r2s h GLU 107 Cb 0.27 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1r2s h GLU 107 CO -0.26 0.06 0.30 1.25 -0.73 0.00 0.00 179.01 179.63 1r2s h LEU 108 N 0.09 0.76 -0.50 1.64 5.85 -1.66 -2.11 115.31 119.39 1r2s h LEU 108 Ca 0.18 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1r2s h LEU 108 Cb 0.25 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1r2s h LEU 108 CO -0.31 0.66 0.29 0.40 -0.34 0.00 0.00 178.44 179.14 1r2s h ILE 109 N 0.81 1.16 -0.68 4.05 2.04 -0.59 -1.79 117.51 122.51 1r2s h ILE 109 Ca 0.21 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1r2s h ILE 109 Cb 0.09 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 1r2s h ILE 109 CO -0.03 0.17 0.35 1.23 0.00 0.00 0.00 178.15 179.88 1r2s h GLY 110 N 0.67 1.00 1.61 5.37 0.00 -1.03 0.69 103.07 111.39 1r2s h GLY 110 Ca 0.18 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 1r2s h GLY 110 CO -0.03 0.10 -0.21 1.46 0.00 0.00 0.00 176.54 177.87 1r2s h GLN 111 N 0.63 0.46 -0.26 4.80 4.20 -1.15 -2.14 115.11 121.64 1r2s h GLN 111 Ca 0.32 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.71 1r2s h GLN 111 Cb 0.27 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1r2s h GLN 111 CO -0.22 0.64 -0.52 0.87 -0.67 0.00 0.00 178.83 178.93 1r2s h LYS 112 N 0.41 0.74 -0.33 1.46 1.57 -0.40 -2.67 116.57 117.35 1r2s h LYS 112 Ca 0.07 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1r2s h LYS 112 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1r2s h LYS 112 CO 0.04 1.08 0.20 0.28 -0.57 0.00 0.00 179.45 180.48 1r2s h VAL 113 N 0.58 1.11 -0.58 0.50 2.07 -0.36 -1.76 116.25 117.80 1r2s h VAL 113 Ca 0.02 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1r2s h VAL 113 Cb 1.09 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1r2s h VAL 113 CO 0.11 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 177.79 1r2s h ALA 114 N 1.08 0.79 -0.11 1.67 0.00 -1.39 -2.16 119.26 119.14 1r2s h ALA 114 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1r2s h ALA 114 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r2s h ALA 114 CO -0.02 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.12 1r2s h HIS 115 N 0.93 0.22 -0.79 0.00 6.17 -1.28 -1.67 115.15 118.73 1r2s h HIS 115 Ca 0.16 -0.04 0.06 0.00 0.71 0.00 0.00 60.37 61.27 1r2s h HIS 115 Cb 0.58 -0.06 -0.06 0.00 2.52 0.00 0.00 27.41 30.39 1r2s h HIS 115 CO 0.04 0.44 0.47 0.00 0.71 0.00 0.00 177.93 179.59 1r2s h ALA 116 N 0.75 1.08 -0.18 5.26 0.00 -1.24 -2.01 119.26 122.93 1r2s h ALA 116 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1r2s h ALA 116 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1r2s h ALA 116 CO 0.01 0.19 -0.34 -0.07 0.00 0.00 0.00 179.25 179.03 1r2s h LEU 117 N 0.86 0.60 -2.25 0.00 3.38 -1.37 -2.06 115.31 114.48 1r2s h LEU 117 Ca 0.35 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1r2s h LEU 117 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1r2s h LEU 117 CO -0.18 1.04 0.21 -1.28 0.09 0.00 0.00 178.44 178.32 1r2s h SER 118 N 0.19 0.00 0.01 -0.43 0.87 -1.07 -1.54 113.55 111.58 1r2s h SER 118 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1r2s h SER 118 Cb 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1r2s h SER 118 CO 0.08 0.00 -0.06 -0.62 -0.53 0.00 0.00 176.83 175.70 1r2s n GLU 119 N -3.69 1.74 -0.01 2.24 -0.58 -0.78 -4.93 120.64 114.63 1r2s n GLU 119 Ca 0.01 -1.20 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 1r2s n GLU 119 Cb 0.33 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1r2s n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r2s n GLY 120 N 1.26 0.65 3.87 0.62 0.00 -0.58 -4.96 105.19 106.05 1r2s n GLY 120 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1r2s n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r2s s LEU 121 N 0.00 3.59 0.35 0.99 1.43 -0.82 -5.02 118.68 119.20 1r2s s LEU 121 Ca 0.00 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 1r2s s LEU 121 Cb 0.00 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 1r2s s LEU 121 CO 0.00 -0.60 0.73 -0.83 0.23 0.00 0.00 176.35 175.88 1r2s s GLY 122 N -3.57 2.12 -0.08 -3.19 0.00 0.83 -4.35 107.32 99.08 1r2s s GLY 122 Ca 0.53 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 45.17 1r2s s GLY 122 CO 0.40 0.07 -0.19 0.14 0.00 0.00 0.00 173.10 173.51 1r2s s VAL 123 N -2.17 1.67 -0.35 1.40 1.01 -0.50 -0.72 120.40 120.74 1r2s s VAL 123 Ca 0.52 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1r2s s VAL 123 Cb -0.10 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1r2s s VAL 123 CO 0.25 0.47 0.21 -0.63 0.00 0.00 0.00 175.10 175.41 1r2s s ILE 124 N 0.35 4.86 -0.27 2.22 1.01 -0.49 -1.06 121.20 127.82 1r2s s ILE 124 Ca -0.14 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 1r2s s ILE 124 Cb -0.16 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 1r2s s ILE 124 CO 0.06 -0.11 0.07 0.00 0.00 0.00 0.00 174.94 174.95 1r2s s ALA 125 N 1.63 3.07 -0.08 9.38 0.00 0.41 -0.86 121.76 135.32 1r2s s ALA 125 Ca 0.04 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 1r2s s ALA 125 Cb -0.18 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1r2s s ALA 125 CO 0.08 -0.75 0.34 0.00 0.00 0.00 0.00 175.76 175.42 1r2s s ILE 127 N -0.45 0.72 0.00 0.00 -4.36 -0.30 -4.57 121.20 112.25 1r2s s ILE 127 Ca 0.20 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1r2s s ILE 127 Cb -0.15 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.39 1r2s s ILE 127 CO 0.09 -0.44 0.00 0.61 0.24 0.00 0.00 174.94 175.44 1r2s n GLY 128 N -0.27 3.40 3.79 6.27 0.00 -1.26 0.63 105.19 117.75 1r2s n GLY 128 Ca -0.06 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1r2s n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r2s s GLU 129 N -2.18 2.93 0.67 1.61 1.03 -1.25 -4.85 118.70 116.65 1r2s s GLU 129 Ca 0.00 -0.74 -0.01 0.00 0.03 0.00 0.00 54.97 54.26 1r2s s GLU 129 Cb 0.00 -2.72 0.10 0.00 -0.80 0.00 0.00 34.13 30.71 1r2s s GLU 129 CO 0.00 0.54 0.93 -1.59 -1.33 0.00 0.00 175.26 173.81 1r2s s LYS 130 N -2.66 1.95 0.11 -4.83 -2.85 -1.26 -2.25 119.74 107.95 1r2s s LYS 130 Ca 0.30 -0.96 -0.15 0.00 -1.00 0.00 0.00 55.97 54.15 1r2s s LYS 130 Cb -0.11 -2.36 -0.05 0.00 -2.06 0.00 0.00 37.83 33.25 1r2s s LYS 130 CO 0.23 -1.23 1.52 1.25 0.10 0.00 0.00 175.35 177.22 1r2s h LEU 131 N -0.37 0.65 -1.47 2.77 5.85 -1.84 -1.51 115.31 119.40 1r2s h LEU 131 Ca -0.38 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.04 1r2s h LEU 131 Cb 1.28 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1r2s h LEU 131 CO 0.45 0.85 0.41 -2.24 -0.34 0.00 0.00 178.44 177.57 1r2s h ASP 132 N 0.45 0.58 -0.08 1.25 3.04 -1.96 -0.12 116.42 119.58 1r2s h ASP 132 Ca 0.09 -0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.78 1r2s h ASP 132 Cb 0.55 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.71 1r2s h ASP 132 CO 0.03 0.39 -0.32 -0.33 -2.04 0.00 0.00 179.24 176.96 1r2s h GLU 133 N 0.67 0.36 -0.48 4.15 5.08 -1.73 -2.95 114.58 119.68 1r2s h GLU 133 Ca 0.26 -0.28 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1r2s h GLU 133 Cb 0.19 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1r2s h GLU 133 CO -0.08 0.91 0.21 -0.09 -1.00 0.00 0.00 179.01 178.97 1r2s h ARG 134 N -0.11 0.41 0.00 2.33 2.43 -0.74 -2.06 114.38 116.64 1r2s h ARG 134 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1r2s h ARG 134 Cb 0.96 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1r2s h ARG 134 CO 0.07 0.27 0.00 0.93 -1.51 0.00 0.00 179.97 179.73 1r2s h GLU 135 N 0.42 0.00 0.00 0.20 5.08 -1.07 0.13 114.58 119.34 1r2s h GLU 135 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1r2s h GLU 135 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1r2s h GLU 135 CO -0.19 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.38 1r2s n ALA 136 N -2.03 3.39 -0.56 3.43 0.00 -0.80 -4.95 120.51 118.98 1r2s n ALA 136 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1r2s n ALA 136 Cb 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1r2s n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r2s n GLY 137 N 1.50 0.66 1.35 0.00 0.00 0.46 -4.98 105.19 104.17 1r2s n GLY 137 Ca 0.06 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1r2s n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r2s n ILE 138 N -2.56 2.62 -0.12 -0.61 -5.35 -1.07 -4.72 119.36 107.56 1r2s n ILE 138 Ca 0.00 -3.00 -0.05 0.00 -0.27 0.00 0.00 62.75 59.42 1r2s n ILE 138 Cb 0.00 -0.49 0.01 0.00 -1.74 0.00 0.00 39.64 37.42 1r2s n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1r2s h THR 139 N 1.16 0.42 0.72 7.28 2.02 -1.85 -2.90 112.91 119.76 1r2s h THR 139 Ca 0.26 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 1r2s h THR 139 Cb 1.56 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1r2s h THR 139 CO 0.51 0.00 -0.50 -0.08 0.37 0.00 0.00 175.52 175.82 1r2s h GLU 140 N -0.12 -1.12 -1.01 6.66 4.81 -1.97 -1.13 114.58 120.69 1r2s h GLU 140 Ca 0.20 0.08 0.22 0.00 -0.13 0.00 0.00 59.36 59.72 1r2s h GLU 140 Cb 0.43 0.25 -0.11 0.00 0.63 0.00 0.00 28.75 29.95 1r2s h GLU 140 CO -0.48 -0.74 0.61 -0.22 -0.73 0.00 0.00 179.01 177.44 1r2s h LYS 141 N -1.16 0.64 0.16 1.92 3.64 -1.92 -2.25 116.57 117.59 1r2s h LYS 141 Ca -0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1r2s h LYS 141 Cb 0.95 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1r2s h LYS 141 CO 0.06 0.42 -0.08 0.28 -2.27 0.00 0.00 179.45 177.87 1r2s h VAL 142 N 0.66 0.85 -0.16 2.00 2.07 -1.29 -2.42 116.25 117.96 1r2s h VAL 142 Ca 0.61 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1r2s h VAL 142 Cb 1.08 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1r2s h VAL 142 CO -0.42 0.22 0.03 -0.37 0.02 0.00 0.00 177.57 177.05 1r2s h VAL 143 N -0.86 1.08 0.11 2.57 -1.51 -1.16 -2.23 116.25 114.25 1r2s h VAL 143 Ca -0.02 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 1r2s h VAL 143 Cb 0.53 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1r2s h VAL 143 CO 0.04 0.10 -0.05 -0.26 -1.23 0.00 0.00 177.57 176.17 1r2s h PHE 144 N 0.22 -0.13 -1.00 5.19 -1.00 -1.49 0.73 116.94 119.46 1r2s h PHE 144 Ca 0.05 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.99 1r2s h PHE 144 Cb 0.10 0.04 -0.09 0.00 3.61 0.00 0.00 35.95 39.61 1r2s h PHE 144 CO 0.00 0.35 0.62 1.49 -1.61 0.00 0.00 178.31 179.16 1r2s h GLU 145 N -0.72 0.84 -0.17 1.51 4.57 -1.36 0.15 114.58 119.40 1r2s h GLU 145 Ca -0.01 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1r2s h GLU 145 Cb 0.54 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1r2s h GLU 145 CO 0.02 0.56 0.01 1.96 -1.18 0.00 0.00 179.01 180.38 1r2s h GLN 146 N 0.87 0.29 -0.54 1.92 4.20 -1.26 -3.00 115.11 117.58 1r2s h GLN 146 Ca 0.53 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 59.12 1r2s h GLN 146 Cb 0.70 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 1r2s h GLN 146 CO -0.31 0.49 0.21 1.79 -0.67 0.00 0.00 178.83 180.34 1r2s h THR 147 N 0.05 1.20 -0.10 -0.54 1.35 0.13 -2.43 112.91 112.57 1r2s h THR 147 Ca 0.05 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1r2s h THR 147 Cb 0.36 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1r2s h THR 147 CO 0.01 0.25 0.05 0.50 -0.25 0.00 0.00 175.52 176.07 1r2s h LYS 148 N 0.78 0.14 -1.00 4.72 3.64 -0.76 0.49 116.57 124.57 1r2s h LYS 148 Ca 0.19 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.64 1r2s h LYS 148 Cb 0.16 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1r2s h LYS 148 CO -0.02 0.21 0.64 0.28 -2.27 0.00 0.00 179.45 178.29 1r2s h VAL 149 N 0.03 1.01 0.54 2.00 2.07 -1.36 0.36 116.25 120.91 1r2s h VAL 149 Ca 0.03 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1r2s h VAL 149 Cb 0.12 -0.18 0.01 0.00 -1.52 0.00 0.00 31.29 29.71 1r2s h VAL 149 CO -0.00 0.20 -0.26 0.40 0.02 0.00 0.00 177.57 177.93 1r2s h ILE 150 N 1.10 0.40 -0.86 4.57 2.04 -0.89 -3.21 117.51 120.66 1r2s h ILE 150 Ca 0.46 -0.27 0.19 0.00 1.00 0.00 0.00 64.86 66.24 1r2s h ILE 150 Cb 0.31 0.50 -0.11 0.00 -0.74 0.00 0.00 36.82 36.78 1r2s h ILE 150 CO -0.21 0.04 0.37 0.00 0.00 0.00 0.00 178.15 178.35 1r2s h ALA 151 N -0.56 1.32 0.00 1.87 0.00 0.51 -0.05 119.26 122.35 1r2s h ALA 151 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r2s h ALA 151 Cb 0.62 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1r2s h ALA 151 CO 0.12 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.85 1r2s n ASP 152 N -5.01 0.00 0.00 0.00 9.92 0.12 -1.81 116.55 119.77 1r2s n ASP 152 Ca 0.19 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 1r2s n ASP 152 Cb 0.56 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1r2s n ASP 152 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1r2s n ASN 153 N -1.36 0.77 -4.74 -2.24 3.02 -0.07 -5.00 115.26 105.64 1r2s n ASN 153 Ca 0.01 -0.98 -0.36 0.00 -0.03 0.00 0.00 54.58 53.22 1r2s n ASN 153 Cb 0.02 0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 1r2s n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r2s s VAL 154 N -0.03 5.36 -0.25 2.41 1.01 -0.75 -4.20 120.40 123.96 1r2s s VAL 154 Ca 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1r2s s VAL 154 Cb 0.00 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1r2s s VAL 154 CO 0.00 0.43 -0.27 1.17 0.00 0.00 0.00 175.10 176.44 1r2s n LYS 155 N 3.39 0.59 -3.90 2.72 4.81 -1.26 -4.93 118.16 119.58 1r2s n LYS 155 Ca -0.15 0.18 -0.30 0.00 -0.87 0.00 0.00 58.31 57.17 1r2s n LYS 155 Cb 0.52 -1.46 -0.15 0.00 0.02 0.00 0.00 35.03 33.96 1r2s n LYS 155 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1r2s s ASP 156 N -6.77 4.26 0.00 3.14 2.15 -1.26 -5.00 116.67 113.19 1r2s s ASP 156 Ca -0.34 -1.71 0.14 0.00 0.43 0.00 0.00 52.55 51.06 1r2s s ASP 156 Cb 0.11 -1.24 0.64 0.00 -0.30 0.00 0.00 42.92 42.13 1r2s s ASP 156 CO 0.52 -0.35 1.44 0.79 -0.17 0.00 0.00 175.17 177.39 1r2s n TRP 157 N 4.57 0.00 0.49 -5.34 7.02 -1.26 -3.25 117.44 119.67 1r2s n TRP 157 Ca -0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.58 1r2s n TRP 157 Cb 0.43 -0.43 0.46 0.00 -2.42 0.00 0.00 31.31 29.34 1r2s n TRP 157 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1r2s n SER 158 N -1.43 0.66 -0.67 -0.99 3.41 -1.26 -2.43 113.62 110.91 1r2s n SER 158 Ca 0.04 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1r2s n SER 158 Cb 0.15 -0.78 0.22 0.00 -0.26 0.00 0.00 64.21 63.54 1r2s n SER 158 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1r2s n LYS 159 N -2.19 2.41 -5.00 4.33 5.02 -1.20 -4.98 118.16 116.55 1r2s n LYS 159 Ca 0.03 -2.79 -0.32 0.00 -2.02 0.00 0.00 58.31 53.21 1r2s n LYS 159 Cb 0.29 -1.75 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 1r2s n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r2s s VAL 160 N -2.87 2.61 -0.06 -0.18 1.01 -1.02 -1.41 120.40 118.49 1r2s s VAL 160 Ca 0.39 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1r2s s VAL 160 Cb 0.33 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1r2s s VAL 160 CO 0.07 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.79 1r2s s VAL 161 N 0.14 1.94 -0.15 2.92 1.01 -0.23 -4.48 120.40 121.56 1r2s s VAL 161 Ca -0.10 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 1r2s s VAL 161 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1r2s s VAL 161 CO 0.06 0.54 0.30 -0.76 0.00 0.00 0.00 175.10 175.24 1r2s s LEU 162 N -0.03 4.27 -0.18 3.92 1.43 -0.80 -0.44 118.68 126.85 1r2s s LEU 162 Ca -0.07 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1r2s s LEU 162 Cb -0.14 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1r2s s LEU 162 CO 0.04 0.13 -0.08 0.00 0.23 0.00 0.00 176.35 176.67 1r2s s ALA 163 N 0.29 2.75 -0.25 4.21 0.00 -0.53 -0.30 121.76 127.93 1r2s s ALA 163 Ca 0.17 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 1r2s s ALA 163 Cb -0.13 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1r2s s ALA 163 CO 0.05 -0.14 0.55 -0.47 0.00 0.00 0.00 175.76 175.75 1r2s s TYR 164 N 0.99 3.29 -0.32 0.00 5.04 -0.18 -1.15 117.35 125.03 1r2s s TYR 164 Ca -0.01 0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 55.26 1r2s s TYR 164 Cb -0.15 -2.75 0.02 0.00 0.35 0.00 0.00 41.96 39.44 1r2s s TYR 164 CO -0.00 -0.26 0.11 -1.21 -1.34 0.00 0.00 175.55 172.84 1r2s s GLU 165 N 2.24 2.96 -1.30 4.97 2.02 0.20 -0.82 118.70 128.98 1r2s s GLU 165 Ca 0.23 -0.95 -0.18 0.00 0.02 0.00 0.00 54.97 54.09 1r2s s GLU 165 Cb -0.16 -3.46 0.04 0.00 0.10 0.00 0.00 34.13 30.65 1r2s s GLU 165 CO 0.09 -0.53 1.88 -0.35 0.02 0.00 0.00 175.26 176.37 1r2s n PRO 166 N 4.88 2.89 -0.22 0.39 -0.04 -1.26 -3.93 135.00 137.70 1r2s n PRO 166 Ca -0.14 -2.98 0.12 0.00 -0.04 0.00 0.00 63.50 60.47 1r2s n PRO 166 Cb 0.47 -3.45 0.42 0.00 -0.04 0.00 0.00 33.50 30.90 1r2s n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r2s h VAL 167 N 5.21 0.85 0.00 0.52 2.07 -1.85 -0.55 116.25 122.50 1r2s h VAL 167 Ca 0.45 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1r2s h VAL 167 Cb 0.81 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1r2s h VAL 167 CO 1.56 0.11 0.08 4.11 0.02 0.00 0.00 177.57 183.45 1r2s h TRP 168 N 0.60 0.00 -0.29 1.57 5.08 -1.70 -1.83 115.95 119.38 1r2s h TRP 168 Ca 0.40 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 60.14 1r2s h TRP 168 Cb 0.69 0.00 -0.21 0.00 -3.00 0.00 0.00 29.16 26.64 1r2s h TRP 168 CO -0.00 0.00 -0.69 0.00 -1.28 0.00 0.00 178.44 176.47 1r2s n ALA 169 N -1.87 3.99 -4.06 0.11 0.00 -0.21 -4.71 120.51 113.76 1r2s n ALA 169 Ca -0.02 -3.38 -0.33 0.00 0.00 0.00 0.00 53.44 49.72 1r2s n ALA 169 Cb 0.13 -0.40 -0.15 0.00 0.00 0.00 0.00 19.45 19.02 1r2s n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r2s s ILE 170 N -3.51 2.18 -1.43 0.00 1.01 -0.69 -4.55 121.20 114.22 1r2s s ILE 170 Ca 0.42 -1.27 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 1r2s s ILE 170 Cb 0.38 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.79 1r2s s ILE 170 CO -0.04 0.25 0.88 0.61 0.00 0.00 0.00 174.94 176.64 1r2s n GLY 171 N 4.54 -0.41 0.00 6.18 0.00 -1.26 -4.87 105.19 109.36 1r2s n GLY 171 Ca -0.17 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1r2s n GLY 171 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r2s n THR 172 N -4.53 0.00 -2.74 2.61 -1.04 -1.26 -4.96 114.28 102.35 1r2s n THR 172 Ca -0.10 -0.14 -0.08 0.00 -2.04 0.00 0.00 64.05 61.69 1r2s n THR 172 Cb 0.59 0.41 0.03 0.00 -1.82 0.00 0.00 70.33 69.55 1r2s n THR 172 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r2s n GLY 173 N 2.13 0.27 2.28 3.41 0.00 -1.26 -5.03 105.19 106.99 1r2s n GLY 173 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.73 1r2s n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r2s n LYS 174 N -2.19 1.08 0.00 1.61 5.02 -1.26 -5.14 118.16 117.28 1r2s n LYS 174 Ca -0.05 -2.93 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1r2s n LYS 174 Cb 0.54 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1r2s n LYS 174 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r2s n THR 175 N -0.18 0.00 -2.90 -0.18 -2.24 -1.26 -4.68 114.28 102.84 1r2s n THR 175 Ca 0.07 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 1r2s n THR 175 Cb 0.94 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 1r2s n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r2s s ALA 176 N 0.00 3.36 0.49 6.98 0.00 -1.26 -5.07 121.76 126.26 1r2s s ALA 176 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 1r2s s ALA 176 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1r2s s ALA 176 CO 0.00 0.25 0.85 0.95 0.00 0.00 0.00 175.76 177.82 1r2s s THR 177 N -1.35 4.79 0.27 0.00 -4.23 -1.26 -4.96 115.64 108.91 1r2s s THR 177 Ca 0.42 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.51 1r2s s THR 177 Cb -0.21 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.07 1r2s s THR 177 CO 0.26 -0.80 1.75 -0.65 -0.54 0.00 0.00 174.62 174.64 1r2s h PRO 178 N 0.48 0.59 -0.80 3.99 0.11 -1.98 -1.83 132.00 132.56 1r2s h PRO 178 Ca -0.46 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.69 1r2s h PRO 178 Cb 1.19 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1r2s h PRO 178 CO 0.62 0.39 0.47 1.96 -0.21 0.00 0.00 178.00 181.23 1r2s h GLN 179 N 0.60 0.80 -0.33 1.05 7.50 -1.97 -0.63 115.11 122.12 1r2s h GLN 179 Ca 0.50 -0.05 -0.13 0.00 0.50 0.00 0.00 58.65 59.47 1r2s h GLN 179 Cb 0.76 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 1r2s h GLN 179 CO -0.40 0.53 -0.31 1.96 -1.50 0.00 0.00 178.83 179.11 1r2s h GLN 180 N 0.82 0.72 0.42 1.46 4.20 -1.72 -0.41 115.11 120.60 1r2s h GLN 180 Ca 0.37 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1r2s h GLN 180 Cb 0.27 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1r2s h GLN 180 CO -0.21 0.93 -0.20 0.00 -0.67 0.00 0.00 178.83 178.68 1r2s h ALA 181 N 1.05 -0.57 -0.67 3.87 0.00 -1.15 -3.06 119.26 118.72 1r2s h ALA 181 Ca 0.07 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1r2s h ALA 181 Cb 0.82 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1r2s h ALA 181 CO 0.07 -0.81 0.24 0.37 0.00 0.00 0.00 179.25 179.12 1r2s h GLN 182 N -0.59 0.39 -0.87 0.00 5.75 -0.86 -0.88 115.11 118.05 1r2s h GLN 182 Ca -0.06 -0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.54 1r2s h GLN 182 Cb 0.45 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.82 1r2s h GLN 182 CO 0.10 0.26 0.49 1.49 -2.65 0.00 0.00 178.83 178.51 1r2s h GLU 183 N 0.40 0.73 0.05 1.69 4.57 -1.04 -1.47 114.58 119.52 1r2s h GLU 183 Ca 0.36 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 58.28 1r2s h GLU 183 Cb 0.50 -0.17 0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1r2s h GLU 183 CO -0.37 0.49 -0.88 0.28 -1.18 0.00 0.00 179.01 177.35 1r2s h VAL 184 N 0.76 1.38 -0.84 0.32 2.07 -1.11 -2.85 116.25 115.97 1r2s h VAL 184 Ca 0.45 -2.28 0.05 0.00 0.82 0.00 0.00 66.70 65.74 1r2s h VAL 184 Cb 0.53 2.68 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 1r2s h VAL 184 CO -0.30 0.68 0.53 0.45 0.02 0.00 0.00 177.57 178.94 1r2s h HIS 185 N 0.04 0.99 -0.58 1.57 3.86 -1.02 -1.75 115.15 118.26 1r2s h HIS 185 Ca -0.13 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.06 1r2s h HIS 185 Cb 1.59 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 1r2s h HIS 185 CO 0.14 0.54 0.16 1.49 0.86 0.00 0.00 177.93 181.11 1r2s h GLU 186 N 1.00 0.91 -0.43 2.45 4.81 -1.29 -0.97 114.58 121.06 1r2s h GLU 186 Ca 0.35 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1r2s h GLU 186 Cb 0.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1r2s h GLU 186 CO -0.14 0.84 -0.20 0.87 -0.73 0.00 0.00 179.01 179.64 1r2s h LYS 187 N 0.82 0.86 -0.31 1.92 1.57 -1.25 -0.18 116.57 120.01 1r2s h LYS 187 Ca 0.18 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1r2s h LYS 187 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1r2s h LYS 187 CO -0.00 0.99 0.11 -0.07 -0.57 0.00 0.00 179.45 179.90 1r2s h LEU 188 N 0.75 0.45 -0.89 2.94 3.38 -1.13 -0.79 115.31 120.02 1r2s h LEU 188 Ca 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1r2s h LEU 188 Cb 0.74 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1r2s h LEU 188 CO 0.06 0.52 0.53 -0.09 0.09 0.00 0.00 178.44 179.55 1r2s h ARG 189 N 0.35 1.21 -0.96 1.13 2.43 -1.07 -1.63 114.38 115.84 1r2s h ARG 189 Ca 0.10 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1r2s h ARG 189 Cb 0.22 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1r2s h ARG 189 CO -0.01 0.85 0.63 0.78 -1.51 0.00 0.00 179.97 180.72 1r2s h GLY 190 N 1.22 1.38 1.10 2.80 0.00 -0.78 -0.93 103.07 107.86 1r2s h GLY 190 Ca 0.32 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1r2s h GLY 190 CO -0.06 0.44 0.13 -0.25 0.00 0.00 0.00 176.54 176.80 1r2s h TRP 191 N 1.25 1.16 -0.41 5.60 7.01 -0.55 -2.38 115.95 127.64 1r2s h TRP 191 Ca 0.37 -0.15 -0.15 0.00 2.11 0.00 0.00 58.89 61.07 1r2s h TRP 191 Cb -0.05 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.68 1r2s h TRP 191 CO -0.00 0.96 -0.33 -0.07 -2.79 0.00 0.00 178.44 176.22 1r2s h LEU 192 N 1.04 0.97 -0.33 0.65 3.38 -0.65 -0.42 115.31 119.95 1r2s h LEU 192 Ca 0.21 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1r2s h LEU 192 Cb 0.41 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1r2s h LEU 192 CO 0.01 1.20 0.13 0.50 0.09 0.00 0.00 178.44 180.37 1r2s h LYS 193 N 0.77 0.28 0.00 1.13 3.64 -0.94 0.35 116.57 121.80 1r2s h LYS 193 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1r2s h LYS 193 Cb 0.91 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1r2s h LYS 193 CO 0.08 0.18 -1.01 -1.13 -2.27 0.00 0.00 179.45 175.31 1r2s n SER 194 N -5.00 0.78 -0.01 4.20 3.41 -0.92 -3.47 113.62 112.62 1r2s n SER 194 Ca 0.00 0.26 0.09 0.00 -0.26 0.00 0.00 58.87 58.95 1r2s n SER 194 Cb 0.10 0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 1r2s n SER 194 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r2s n ASN 195 N -2.55 1.00 0.00 4.04 3.02 -0.18 -4.86 115.26 115.74 1r2s n ASN 195 Ca 0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1r2s n ASN 195 Cb 0.53 1.67 0.00 0.00 -0.61 0.00 0.00 39.78 41.37 1r2s n ASN 195 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1r2s n VAL 196 N -1.99 0.00 -3.61 2.41 0.31 0.05 -5.04 118.33 110.46 1r2s n VAL 196 Ca -0.02 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.30 1r2s n VAL 196 Cb 0.42 -0.68 -0.01 0.00 -0.91 0.00 0.00 33.84 32.66 1r2s n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1r2s s SER 197 N -0.87 -0.09 0.11 4.52 1.04 -0.81 -5.02 113.70 112.58 1r2s s SER 197 Ca 0.00 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.16 1r2s s SER 197 Cb 0.00 0.13 -0.10 0.00 0.10 0.00 0.00 66.02 66.15 1r2s s SER 197 CO 0.00 -0.23 1.73 0.44 0.98 0.00 0.00 173.24 176.16 1r2s h ASP 198 N 2.00 -0.06 -0.61 7.02 3.32 -1.84 -2.22 116.42 124.02 1r2s h ASP 198 Ca -0.18 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1r2s h ASP 198 Cb 1.18 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 1r2s h ASP 198 CO 0.25 -0.02 0.35 0.00 -1.72 0.00 0.00 179.24 178.10 1r2s h ALA 199 N 1.08 0.80 -0.57 3.45 0.00 -1.97 -1.95 119.26 120.11 1r2s h ALA 199 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1r2s h ALA 199 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1r2s h ALA 199 CO -0.08 0.05 -0.00 0.28 0.00 0.00 0.00 179.25 179.50 1r2s h VAL 200 N 0.67 1.27 -0.71 0.00 2.07 -1.91 -2.40 116.25 115.24 1r2s h VAL 200 Ca 0.26 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1r2s h VAL 200 Cb 0.10 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1r2s h VAL 200 CO -0.14 0.41 0.37 0.00 0.02 0.00 0.00 177.57 178.22 1r2s h ALA 201 N 0.97 0.91 0.00 1.67 0.00 -1.13 -1.21 119.26 120.47 1r2s h ALA 201 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r2s h ALA 201 Cb 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r2s h ALA 201 CO 0.03 0.45 0.00 1.96 0.00 0.00 0.00 179.25 181.69 1r2s h GLN 202 N 0.98 0.00 0.00 0.00 4.20 -1.28 -3.35 115.11 115.66 1r2s h GLN 202 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1r2s h GLN 202 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1r2s h GLN 202 CO -0.04 0.00 -0.74 -1.13 -0.67 0.00 0.00 178.83 176.26 1r2s n SER 203 N -3.05 1.49 -4.73 1.46 3.41 -0.91 -4.78 113.62 106.51 1r2s n SER 203 Ca 0.04 -0.41 -0.41 0.00 -0.26 0.00 0.00 58.87 57.83 1r2s n SER 203 Cb 0.51 1.14 -0.04 0.00 -0.26 0.00 0.00 64.21 65.55 1r2s n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r2s s THR 204 N -2.02 4.13 -0.15 6.66 2.01 -0.47 -4.91 115.64 120.89 1r2s s THR 204 Ca 0.01 1.77 -0.19 0.00 0.31 0.00 0.00 61.69 63.59 1r2s s THR 204 Cb 0.05 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1r2s s THR 204 CO 0.31 0.27 0.53 -0.13 -0.69 0.00 0.00 174.62 174.91 1r2s s ARG 205 N -0.07 4.29 -0.25 4.92 0.52 -1.26 -4.98 118.95 122.12 1r2s s ARG 205 Ca 0.49 0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 56.16 1r2s s ARG 205 Cb -0.27 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 1r2s s ARG 205 CO 0.32 -0.00 0.02 0.42 0.02 0.00 0.00 175.30 176.08 1r2s s ILE 206 N 1.13 3.75 0.16 1.52 1.01 -1.26 -1.90 121.20 125.61 1r2s s ILE 206 Ca 0.27 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1r2s s ILE 206 Cb -0.16 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1r2s s ILE 206 CO 0.11 0.28 0.00 0.27 0.00 0.00 0.00 174.94 175.60 1r2s s ILE 207 N 1.51 3.79 -0.22 2.92 -4.36 0.59 -1.08 121.20 124.34 1r2s s ILE 207 Ca 0.04 -1.32 -0.13 0.00 -0.26 0.00 0.00 60.65 58.98 1r2s s ILE 207 Cb -0.16 -2.88 -0.05 0.00 1.25 0.00 0.00 42.46 40.63 1r2s s ILE 207 CO 0.00 -0.06 0.26 -0.47 0.24 0.00 0.00 174.94 174.92 1r2s s TYR 208 N -1.63 3.34 -0.20 1.37 5.04 -0.48 -1.01 117.35 123.79 1r2s s TYR 208 Ca 0.27 0.40 0.16 0.00 -2.44 0.00 0.00 57.07 55.45 1r2s s TYR 208 Cb -0.10 -2.38 0.60 0.00 0.35 0.00 0.00 41.96 40.43 1r2s s TYR 208 CO 0.18 0.04 1.51 0.41 -1.34 0.00 0.00 175.55 176.35 1r2s n GLY 209 N 4.11 3.85 0.00 8.97 0.00 0.00 -1.68 105.19 120.45 1r2s n GLY 209 Ca -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1r2s n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r2s n GLY 210 N -0.29 -0.44 3.63 -0.02 0.00 -1.26 -4.73 105.19 102.08 1r2s n GLY 210 Ca 0.24 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1r2s n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r2s s SER 211 N -1.00 6.56 -0.04 1.61 0.15 -1.26 -4.80 113.70 114.91 1r2s s SER 211 Ca 0.00 1.42 0.04 0.00 0.70 0.00 0.00 55.95 58.12 1r2s s SER 211 Cb 0.00 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1r2s s SER 211 CO 0.00 -1.14 -0.17 0.68 1.20 0.00 0.00 173.24 173.81 1r2s s VAL 212 N 4.68 1.41 0.41 4.45 -7.23 -1.26 -5.03 120.40 117.83 1r2s s VAL 212 Ca 0.63 -0.71 0.06 0.00 -1.81 0.00 0.00 61.98 60.15 1r2s s VAL 212 Cb -0.21 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.45 1r2s s VAL 212 CO 0.25 0.41 0.01 0.42 -0.31 0.00 0.00 175.10 175.88 1r2s s THR 213 N -0.01 1.89 0.58 5.32 -4.23 -1.26 -4.72 115.64 113.21 1r2s s THR 213 Ca -0.03 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.76 1r2s s THR 213 Cb -0.11 -2.94 0.37 0.00 1.34 0.00 0.00 72.50 71.15 1r2s s THR 213 CO 0.02 0.00 2.05 1.23 -0.54 0.00 0.00 174.62 177.38 1r2s h GLY 214 N 1.78 0.00 1.56 3.99 0.00 -1.98 -1.32 103.07 107.10 1r2s h GLY 214 Ca -0.44 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.61 1r2s h GLY 214 CO 0.80 0.00 -1.30 0.00 0.00 0.00 0.00 176.54 176.04 1r2s h ALA 215 N 1.71 0.12 0.00 3.60 0.00 -1.96 -3.38 119.26 119.35 1r2s h ALA 215 Ca 0.13 -0.92 -0.19 0.00 0.00 0.00 0.00 54.91 53.92 1r2s h ALA 215 Cb 0.67 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1r2s h ALA 215 CO -0.00 1.00 -1.49 0.25 0.00 0.00 0.00 179.25 179.00 1r2s n THR 216 N -3.52 1.26 -0.31 0.00 -2.24 -0.96 -4.59 114.28 103.92 1r2s n THR 216 Ca -0.10 -0.71 0.16 0.00 -2.27 0.00 0.00 64.05 61.13 1r2s n THR 216 Cb 1.03 -0.78 0.41 0.00 -2.10 0.00 0.00 70.33 68.88 1r2s n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r2s h LYS 218 N 0.61 0.81 -0.36 0.00 1.57 -1.82 -0.63 116.57 116.75 1r2s h LYS 218 Ca 0.53 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 59.04 1r2s h LYS 218 Cb 1.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1r2s h LYS 218 CO -0.29 0.68 -0.34 1.49 -0.57 0.00 0.00 179.45 180.43 1r2s h GLU 219 N 0.74 0.81 -0.26 3.15 4.81 -1.82 -2.80 114.58 119.22 1r2s h GLU 219 Ca 0.19 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.89 1r2s h GLU 219 Cb 0.16 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1r2s h GLU 219 CO -0.02 1.03 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.83 1r2s h LEU 220 N 0.68 0.64 -0.24 1.64 3.38 -1.45 -3.01 115.31 116.95 1r2s h LEU 220 Ca 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1r2s h LEU 220 Cb 0.89 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1r2s h LEU 220 CO 0.08 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.57 1r2s n ALA 221 N -2.51 1.97 1.32 1.53 0.00 -0.26 -2.53 120.51 120.03 1r2s n ALA 221 Ca -0.02 -0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1r2s n ALA 221 Cb 0.51 -1.40 0.54 0.00 0.00 0.00 0.00 19.45 19.10 1r2s n ALA 221 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1r2s n SER 222 N -1.99 0.55 -4.77 0.00 3.41 -1.07 -4.88 113.62 104.88 1r2s n SER 222 Ca 0.04 -0.54 -0.39 0.00 -0.26 0.00 0.00 58.87 57.72 1r2s n SER 222 Cb 0.30 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1r2s n SER 222 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1r2s s GLN 223 N -2.55 4.35 0.27 4.33 -1.52 -1.05 -4.95 119.66 118.54 1r2s s GLN 223 Ca 0.26 1.73 -0.03 0.00 -1.95 0.00 0.00 55.36 55.37 1r2s s GLN 223 Cb 0.20 -2.87 0.36 0.00 -0.22 0.00 0.00 33.01 30.48 1r2s s GLN 223 CO 0.50 -0.03 1.85 -1.35 -0.25 0.00 0.00 175.29 176.02 1r2s h PRO 224 N 3.13 0.97 -0.56 2.91 0.11 -1.90 -3.12 132.00 133.53 1r2s h PRO 224 Ca -0.48 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.48 1r2s h PRO 224 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1r2s h PRO 224 CO 0.64 0.79 0.00 -0.25 -0.21 0.00 0.00 178.00 178.97 1r2s n ASP 225 N -4.31 4.11 -4.60 -2.05 8.00 -1.26 -4.87 116.55 111.56 1r2s n ASP 225 Ca 0.06 -2.31 -0.38 0.00 0.71 0.00 0.00 54.79 52.87 1r2s n ASP 225 Cb 0.17 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 1r2s n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r2s s VAL 226 N -1.57 5.25 -0.72 2.53 1.01 -1.18 -4.69 120.40 121.03 1r2s s VAL 226 Ca 0.44 0.37 0.14 0.00 0.00 0.00 0.00 61.98 62.93 1r2s s VAL 226 Cb 0.27 -3.61 0.45 0.00 0.00 0.00 0.00 36.38 33.49 1r2s s VAL 226 CO 0.23 0.21 1.38 0.47 0.00 0.00 0.00 175.10 177.39 1r2s n ASP 227 N 5.11 3.57 0.00 3.32 8.00 -0.24 -4.81 116.55 131.49 1r2s n ASP 227 Ca -0.11 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 52.97 1r2s n ASP 227 Cb 0.51 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1r2s n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2s n GLY 228 N 0.28 0.94 2.94 0.44 0.00 -1.26 -1.68 105.19 106.85 1r2s n GLY 228 Ca 0.17 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1r2s n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r2s s PHE 229 N -2.65 0.19 -0.37 1.61 0.40 -0.05 -1.38 117.98 115.73 1r2s s PHE 229 Ca 0.00 -0.32 -0.07 0.00 -0.60 0.00 0.00 56.93 55.94 1r2s s PHE 229 Cb 0.00 -0.13 0.06 0.00 0.51 0.00 0.00 43.02 43.45 1r2s s PHE 229 CO 0.00 -0.11 0.16 -1.17 0.70 0.00 0.00 175.22 174.80 1r2s s LEU 230 N -0.89 4.66 -0.14 -0.37 2.96 -0.67 -0.64 118.68 123.58 1r2s s LEU 230 Ca -0.09 -1.31 -0.11 0.00 -0.22 0.00 0.00 54.13 52.40 1r2s s LEU 230 Cb -0.06 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 1r2s s LEU 230 CO -0.01 -0.41 0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 1r2s s VAL 231 N 1.40 5.37 0.00 1.68 1.01 0.10 -4.34 120.40 125.61 1r2s s VAL 231 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1r2s s VAL 231 Cb -0.21 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1r2s s VAL 231 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1r2s n GLY 232 N 2.85 1.02 0.37 4.51 0.00 -1.26 0.07 105.19 112.75 1r2s n GLY 232 Ca -0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.04 1r2s n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r2s h GLY 233 N 0.00 1.59 2.00 -0.02 0.00 -1.94 -2.30 103.07 102.39 1r2s h GLY 233 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1r2s h GLY 233 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.40 1r2s h ALA 234 N 1.66 1.00 0.00 3.60 0.00 -1.89 -3.08 119.26 120.56 1r2s h ALA 234 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1r2s h ALA 234 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1r2s h ALA 234 CO -0.37 0.00 0.02 0.77 0.00 0.00 0.00 179.25 179.67 1r2s h SER 235 N 0.00 0.00 -0.01 0.00 0.02 -1.67 -2.82 113.55 109.07 1r2s h SER 235 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r2s h SER 235 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1r2s h SER 235 CO 0.00 0.00 -0.38 0.18 -1.14 0.00 0.00 176.83 175.49 1r2s n LEU 236 N -2.86 2.19 -4.66 5.07 4.77 -1.16 -4.90 117.00 115.45 1r2s n LEU 236 Ca -0.03 -0.79 -0.25 0.00 -0.03 0.00 0.00 56.01 54.92 1r2s n LEU 236 Cb 0.08 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1r2s n LEU 236 CO 0.17 0.40 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.82 1r2s s LYS 237 N -2.39 2.11 0.57 3.23 1.02 -1.06 -4.99 119.74 118.24 1r2s s LYS 237 Ca 0.21 -1.80 0.35 0.00 0.02 0.00 0.00 55.97 54.75 1r2s s LYS 237 Cb 0.19 -1.92 1.65 0.00 -0.52 0.00 0.00 37.83 37.22 1r2s s LYS 237 CO 0.52 0.06 2.09 -1.35 -0.92 0.00 0.00 175.35 175.75 1r2s h PRO 238 N 1.70 0.00 -1.58 -1.68 0.11 -1.93 -2.78 132.00 125.85 1r2s h PRO 238 Ca -0.43 0.00 0.50 0.00 0.11 0.00 0.00 66.00 66.18 1r2s h PRO 238 Cb 1.25 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 1r2s h PRO 238 CO 0.69 0.03 1.09 0.39 -0.21 0.00 0.00 178.00 179.98 1r2s n GLU 239 N -3.17 -0.02 -0.26 1.05 1.02 -1.26 -0.92 120.64 117.07 1r2s n GLU 239 Ca -0.01 1.11 0.02 0.00 -0.02 0.00 0.00 57.16 58.26 1r2s n GLU 239 Cb 0.24 -2.35 0.15 0.00 -0.02 0.00 0.00 31.44 29.47 1r2s n GLU 239 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1r2s h PHE 240 N 0.00 0.72 -0.81 -0.32 3.57 -1.57 -2.61 116.94 115.92 1r2s h PHE 240 Ca 0.86 0.03 0.03 0.00 3.53 0.00 0.00 57.97 62.42 1r2s h PHE 240 Cb 3.12 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 41.60 1r2s h PHE 240 CO -0.00 0.27 0.54 0.28 -2.23 0.00 0.00 178.31 177.16 1r2s h VAL 241 N 0.67 1.14 -0.53 1.41 2.07 -1.28 -0.71 116.25 119.03 1r2s h VAL 241 Ca 0.37 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1r2s h VAL 241 Cb 0.38 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1r2s h VAL 241 CO -0.27 0.19 0.24 0.44 0.02 0.00 0.00 177.57 178.19 1r2s h ASP 242 N 1.02 0.71 -0.64 0.57 3.32 -1.59 -2.94 116.42 116.87 1r2s h ASP 242 Ca 0.32 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1r2s h ASP 242 Cb 0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1r2s h ASP 242 CO -0.09 0.66 0.36 0.40 -1.72 0.00 0.00 179.24 178.84 1r2s h ILE 243 N 0.71 1.20 -0.83 0.35 2.04 -1.00 -1.51 117.51 118.47 1r2s h ILE 243 Ca 0.18 -0.49 0.18 0.00 1.00 0.00 0.00 64.86 65.73 1r2s h ILE 243 Cb 0.15 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1r2s h ILE 243 CO -0.02 0.22 0.56 0.40 0.00 0.00 0.00 178.15 179.30 1r2s h ILE 244 N 0.87 0.72 -0.45 -0.67 2.04 -1.06 -0.99 117.51 117.98 1r2s h ILE 244 Ca 0.23 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1r2s h ILE 244 Cb 0.03 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1r2s h ILE 244 CO -0.04 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.77 1r2s n ASN 245 N -4.48 4.70 0.02 1.72 3.02 -0.60 -4.71 115.26 114.93 1r2s n ASN 245 Ca 0.17 -2.72 0.01 0.00 -0.03 0.00 0.00 54.58 52.01 1r2s n ASN 245 Cb 0.64 -0.65 0.34 0.00 -0.61 0.00 0.00 39.78 39.51 1r2s n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r2s h ALA 246 N 3.57 1.48 -0.00 5.41 0.00 -0.84 -2.93 119.26 125.95 1r2s h ALA 246 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r2s h ALA 246 Cb 1.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1r2s h ALA 246 CO 0.39 0.38 -0.35 1.17 0.00 0.00 0.00 179.25 180.83 1r2s n LYS 247 N -4.33 0.13 0.00 0.00 4.81 -1.26 -4.62 118.16 112.88 1r2s n LYS 247 Ca 0.02 -0.06 0.12 0.00 -0.87 0.00 0.00 58.31 57.52 1r2s n LYS 247 Cb 0.20 -1.50 0.19 0.00 0.02 0.00 0.00 35.03 33.94 1r2s n LYS 247 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61